SCHEMBL5758796

SCHEMBL5758796

CN(C)CCCn1nc(C2=C(c3c[nH]c4cccc(Cl)c34)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 14/20 0.61
PRKCB P05771 13/20 0.61
GSK3B P49841 13/20 0.61
PRKCG P05129 11/20 0.61
CAMK2D Q13557 2/20 0.61
PRKCD Q05655 9/20 0.60
KCNH2 Q12809 5/20 0.57
PRKCZ Q05513 4/20 0.57
PRKCH P24723 3/20 0.54
PRKCQ Q04759 3/20 0.54
PRKACA P17612 3/20 0.54
PRKACG P22612 3/20 0.54
PRKACB P22694 3/20 0.54
PRKD1 Q15139 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
PIM1 P11309 2/20 0.54
MEN1 O00255 1/20 0.54
PRKD3 O94806 1/20 0.54
CCNB2 O95067 1/20 0.54
CCNE2 O96020 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5756779 0.88 CAMK2D (0.77) PRKCAPRKCBGSK3BPRKCGCAMK2D
SCHEMBL5758674 0.84 CAMK2D (0.63) PRKCAPRKCBGSK3BPRKCGCAMK2D
SCHEMBL3784374 0.83 PRKCA (0.76) PRKCAPRKCBGSK3BPRKCGCAMK2D
SCHEMBL3783864 0.82 PRKCA (0.80) PRKCAPRKCBGSK3BPRKCGCAMK2D
SCHEMBL1993520 0.82 PRKCA (0.64) PRKCAPRKCBGSK3BPRKCGCAMK2D
SCHEMBL3768487 0.80 PRKCA (0.65) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL5752512 0.80 PRKCA (0.67) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL1996677 0.79 GSK3B (0.61) PRKCAPRKCBGSK3BPRKCGCAMK2D
SCHEMBL1991771 0.79 PRKCA (0.65) PRKCAPRKCBGSK3BPRKCGCAMK2D
SCHEMBL3775416 0.79 GSK3B (0.79) PRKCAPRKCBGSK3BPRKCGPRKCD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362047-B1 INDAZOLYL-SUBSTITUTED PYRROLINE COMPOUNDS AS KINASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2006-05-17 EP disclosed
EP-1362047-A2 INDAZOLYL-SUBSTITUTED PYRROLINE COMPOUNDS AS KINASE INHIBITORS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-11-19 EP disclosed
WO-2002046183-A2 INDAZOLYL-SUBSTITUTED PYRROLINE COMPOUNDS AS KINASE INHIBITORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-06-13 WO disclosed